5-(azetidin-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazole

C11H17N3O2 — CID 90488064

IUPAC5-(azetidin-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazole
SMILESC(Cc1noc(C2CNC2)n1)OCC1CC1
InChIInChI=1S/C11H17N3O2/c1-2-8(1)7-15-4-3-10-13-11(16-14-10)9-5-12-6-9/h8-9,12H,1-7H2
InChIKeyATVNTVLIOHHRKV-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.73
Rot. Bonds6

About 5-(azetidin-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazole

5-(azetidin-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazole (PubChem CID 90488064) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazole
PubChem CID90488064
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-(azetidin-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazole
SMILESC(Cc1noc(C2CNC2)n1)OCC1CC1
InChIInChI=1S/C11H17N3O2/c1-2-8(1)7-15-4-3-10-13-11(16-14-10)9-5-12-6-9/h8-9,12H,1-7H2
InChIKeyATVNTVLIOHHRKV-UHFFFAOYSA-N
XLogP0.73
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(azetidin-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazole (CID 90488064) is 5-(azetidin-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azetidin-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(azetidin-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazole is C(Cc1noc(C2CNC2)n1)OCC1CC1.
What is the InChIKey of 5-(azetidin-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazole?
The InChIKey is ATVNTVLIOHHRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-8(1)7-15-4-3-10-13-11(16-14-10)9-5-12-6-9/h8-9,12H,1-7H2.
What are the key properties of 5-(azetidin-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazole?
5-(azetidin-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazole has a molecular weight of 223.28 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 90488064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).